3-(4-Acetyl-piperazin-1-YL)-4-chloroaniline

Base Information

Chemical Name:3-(4-Acetyl-piperazin-1-YL)-4-chloroaniline
CAS No.:144514-38-5
Molecular Formula:C12H16 Cl N3 O
Molecular Weight:253.732
Hs Code.:
DSSTox Substance ID:DTXSID20438624
Wikidata:Q82254420
Mol file:144514-38-5.mol

Synonyms:144514-38-5;3-(4-ACETYL-PIPERAZIN-1-YL)-4-CHLOROANILINE;1-[4-(5-AMINO-2-CHLOROPHENYL)PIPERAZIN-1-YL]ETHANONE;3-(4-acetylpiperazin-1-yl)-4-chloroaniline;allylcyclohexyloxyacetate;DTXSID20438624;AKOS015909248;FT-0604245;1-[4-(5-Amino-2-chlorophenyl)piperazin-1-yl]ethan-1-one

Suppliers and Price of 3-(4-Acetyl-piperazin-1-YL)-4-chloroaniline

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 10 raw suppliers

Chemical Property of 3-(4-Acetyl-piperazin-1-YL)-4-chloroaniline

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Refractive Index:1.606
Boiling Point:486.995°C at 760 mmHg
PKA:4.73±0.10(Predicted)
Flash Point:248.326°C
PSA：49.57000
Density:1.28g/cm³
LogP:2.17480
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:253.0981898
Heavy Atom Count:17
Complexity:279

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)N1CCN(CC1)C2=C(C=CC(=C2)N)Cl

Technology Process of 3-(4-Acetyl-piperazin-1-YL)-4-chloroaniline

There total 2 articles about 3-(4-Acetyl-piperazin-1-YL)-4-chloroaniline which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 83.0%

: 144514-36-3
1-acetyl-4-(2-chloro-5-nitrophenyl)piperazine

: 144514-38-5
3-(4-acetyl-1-piperazinyl)-4-chloroaniline

Guidance literature:: With hydrogen; palladium on activated charcoal; In ethanol;
DOI:10.1021/jm00103a011

Reference yield:

: 150557-82-7
1-(4-(2-chlorophenyl)piperazin-1-yl)ethan-1-one

: 144514-38-5
3-(4-acetyl-1-piperazinyl)-4-chloroaniline

Guidance literature:: Multi-step reaction with 2 steps

1: 62.5 percent / H₂SO₄, HNO₃ / 2.5 h / 15 °C

2: 83 percent / H₂ / 10percent Pd-C / ethanol

With sulfuric acid; hydrogen; nitric acid; palladium on activated charcoal; In ethanol;
DOI:10.1021/jm00103a011